Chemical Properties of 5,6-Dihydro-5-methyluracil (CAS 696-04-8)

InChI

InChI=1S/C5H8N2O2/c1-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9)

InChI Key

NBAKTGXDIBVZOO-UHFFFAOYSA-N

Formula

C5H8N2O2

SMILES

CC1CNC(=O)NC1=O

Molecular Weight¹

128.13

CAS

696-04-8

Other Names

• 2,4(1H,3H)-Pyrimidinedione, dihydro-5-methyl-
• 5,6-Dihydro-2,4-dihydroxy-5-methylpyrimidine
• 5,6-dihydrothymine
• 5-methyl-5,6-dihydrouracil
• 5-methyldihydropyrimidine-2,4(1H,3H)-dione
• 5-methylhydrouracil
• Dihydrothymine
• Hydrouracil, 5-methyl-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_sub : Sublimation pressure (kPa).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	18.74	kJ/mol	Joback Calculated Property
log10WS	-0.43		Relay (1.0) Calculated Property
logPoct/wat	-0.538		Crippen Calculated Property
McVol	93.550	ml/mol	McGowan Calculated Property
Inp	[1523.80; 1523.80]
Inp	1523.80		NIST
Inp	1523.80		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[221.26; 295.07]	J/mol×K	[566.29; 827.01]
Cp,gas	221.26	J/mol×K	566.29	Joback Calculated Property
Cp,gas	235.34	J/mol×K	609.74	Joback Calculated Property
Cp,gas	248.87	J/mol×K	653.20	Joback Calculated Property
Cp,gas	261.72	J/mol×K	696.65	Joback Calculated Property
Cp,gas	273.78	J/mol×K	740.10	Joback Calculated Property
Cp,gas	284.94	J/mol×K	783.55	Joback Calculated Property
Cp,gas	295.07	J/mol×K	827.01	Joback Calculated Property
Psub	[1.27e-04; 1.11e-03]	kPa	[379.15; 401.16]
Psub	1.31e-04	kPa	379.15	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	1.27e-04	kPa	379.15	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	1.38e-04	kPa	379.15	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	1.68e-04	kPa	381.18	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	1.63e-04	kPa	381.18	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	1.57e-04	kPa	381.18	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	1.90e-04	kPa	383.14	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	1.98e-04	kPa	383.14	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	1.97e-04	kPa	383.14	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	2.34e-04	kPa	385.15	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	2.43e-04	kPa	385.15	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	2.42e-04	kPa	385.15	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	2.87e-04	kPa	387.19	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	3.01e-04	kPa	387.19	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	2.98e-04	kPa	387.19	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	3.46e-04	kPa	389.15	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	3.64e-04	kPa	389.15	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	3.59e-04	kPa	389.15	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	4.27e-04	kPa	391.15	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	4.20e-04	kPa	391.15	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	4.42e-04	kPa	391.15	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	5.21e-04	kPa	393.19	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	5.08e-04	kPa	393.19	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	5.38e-04	kPa	393.19	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	6.32e-04	kPa	395.16	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	6.33e-04	kPa	395.16	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	6.13e-04	kPa	395.16	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	7.86e-04	kPa	397.15	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	7.56e-04	kPa	397.15	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	7.37e-04	kPa	397.15	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	9.06e-04	kPa	399.19	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	9.51e-04	kPa	399.19	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	8.82e-04	kPa	399.19	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	1.11e-03	kPa	401.16	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	1.10e-03	kPa	401.16	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Psub	1.07e-03	kPa	401.16	Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil

Similar Compounds

Find more compounds similar to 5,6-Dihydro-5-methyluracil.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
• Joback Method
• McGowan Method
• NIST Webbook

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